Formula |
C7H7NO2S |
IUPAC Name |
(4-nitrophenyl)methanethiol |
Molecular Mass |
169.201 g·mol−1 |
Heat of Formation |
60.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.41 ± 1.08 D |
Volume |
193.15 Å 3 |
Surface Area |
189.08 Å 2 |
HOMO Energy |
-9.37 ± 0.55 eV |
LUMO Energy |
1.54 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-nitrobenzyl mercaptan
- benzenemethanethiol, 4-nitro-
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CAS Number(s) |
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InChIKey |
ACFHLWCEZHYYKX-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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